SCHEMBL8607249

SCHEMBL8607249

CC(C)[C@H](NC(=O)OC1CCCCC1)C(=O)N(c1ccc(C#N)cc1)[C@H](C)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
KDM1A O60341 4/20 0.35
CHRM2 P08172 3/20 0.35
CHRM1 P11229 3/20 0.35
CHRM3 P20309 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
EPHX1 P07099 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TRPA1 O75762 1/20 0.34
CTSC P53634 1/20 0.34
KCNH2 Q12809 1/20 0.34
ITK Q08881 1/20 0.33
FPR2 P25090 1/20 0.33
CYP19A1 P11511 1/20 0.33
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8607244 0.73 EPHX1 (0.44) TSHRCYP3A4CYP2C19EPHX1NPC1
SCHEMBL8607278 0.73 CTSL (0.40) TRPA1
SCHEMBL8771769 0.73 MMP2 (0.43) TSHR
SCHEMBL8603178 0.72 DPP4 (0.38) EPHX1TRPA1
SCHEMBL9228051 0.66 MMP2 (0.43) TSHRKDM1A
SCHEMBL8771748 0.66 CYP1A2 (0.40) TSHRCYP3A4CYP2C19
SCHEMBL8682268 0.66 EPHX1 (0.53) TSHRCYP3A4CYP2C19EPHX1CYP19A1
SCHEMBL15058144 0.66 EPHX1 (0.53) TSHRCYP3A4CYP2C19EPHX1CYP19A1
SCHEMBL8204925 0.66 EPHX1 (0.47) TSHRCYP3A4CYP2C19EPHX1CYP19A1
SCHEMBL8605405 0.65 TRPA1 (0.37) CHRM2CHRM1CHRM3NPC1TRPA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811424-A CONTROL OF DOWNY MILDEW, LATE BLIGHT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1998-09-22 US disclosed
US-5723469-A Amino-acid amide derivatives, agricultural or horticultural fungicides, and method for producing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1998-03-03 US disclosed
EP-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed
US-5574064-A Amino-acid amide derivatives, agricultural or horticultural fungicides, and method for producing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1996-11-12 US disclosed
EP-0648740-A1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed